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TargetPituitary adenylate cyclase-activating polypeptide type I receptor
LigandBDBM50250072
Substrate/Competitorn/a
Meas. Tech.ChEMBL_498611 (CHEMBL966957)
IC50 7.9±n/a nM
Citation Bourgault, S; Vaudry, D; Ségalas-Milazzo, I; Guilhaudis, L; Couvineau, A; Laburthe, M; Vaudry, H; Fournier, A Molecular and conformational determinants of pituitary adenylate cyclase-activating polypeptide (PACAP) for activation of the PAC1 receptor. J Med Chem52:3308-16 (2009) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Pituitary adenylate cyclase-activating polypeptide type I receptor
Name:Pituitary adenylate cyclase-activating polypeptide type I receptor
Synonyms:ADCYAP1R1 | PACR_HUMAN
Type:PROTEIN
Mol. Mass.:53307.50
Organism:Homo sapiens (Human)
Description:ChEMBL_498617
Residue:468
Sequence:
MAGVVHVSLAALLLLPMAPAMHSDCIFKKEQAMCLEKIQRANELMGFNDSSPGCPGMWDN
ITCWKPAHVGEMVLVSCPELFRIFNPDQVWETETIGESDFGDSNSLDLSDMGVVSRNCTE
DGWSEPFPHYFDACGFDEYESETGDQDYYYLSVKALYTVGYSTSLVTLTTAMVILCRFRK
LHCTRNFIHMNLFVSFMLRAISVFIKDWILYAEQDSNHCFISTVECKAVMVFFHYCVVSN
YFWLFIEGLYLFTLLVETFFPERRYFYWYTIIGWGTPTVCVTVWATLRLYFDDTGCWDMN
DSTALWWVIKGPVVGSIMVNFVLFIGIIVILVQKLQSPDMGGNESSIYLRLARSTLLLIP
LFGIHYTVFAFSPENVSKRERLVFELGLGSFQGFVVAVLYCFLNGEVQAEIKRKWRSWKV
NRYFAVDFKHRHPSLASSGVNGGTQLSILSKSSSQIRMSGLPADNLAT
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50250072
n/a
NameBDBM50250072
Synonyms:CHEMBL498867 | [Tyr6]PACAP27
TypeSmall organic molecule
Emp. Form.C142H224N40O40S
Mol. Mass.3163.607
SMILESCC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O |r,wU:26.26,12.16,4.4,49.50,50.53,64.65,82.84,99.101,122.125,140.143,153.156,169.172,190.194,203.208,215.219,wD:20.22,2.2,37.37,56.57,70.71,88.90,111.114,131.134,148.152,160.163,178.181,198.203,208.212,(2.88,-21.44,;2.88,-22.98,;4.22,-23.75,;5.55,-22.98,;4.22,-25.29,;2.88,-26.06,;1.55,-25.29,;1.55,-23.75,;.21,-26.06,;-1.12,-25.29,;-2.45,-26.06,;-2.45,-27.6,;-3.79,-25.29,;-3.79,-23.75,;-2.45,-22.98,;-1.12,-23.75,;-2.45,-21.44,;-5.12,-26.06,;-6.45,-25.29,;-6.45,-23.75,;-7.79,-26.06,;-7.79,-27.6,;-6.45,-28.37,;-9.12,-25.29,;-10.46,-26.06,;-10.46,-27.6,;-11.79,-25.29,;-13.12,-26.06,;-11.79,-23.75,;-10.46,-22.98,;-9.04,-23.61,;-8.01,-22.46,;-8.78,-21.13,;-10.29,-21.45,;5.55,-26.06,;5.55,-27.6,;6.88,-25.29,;8.22,-26.06,;8.22,-27.6,;9.55,-28.37,;10.89,-27.6,;12.23,-28.37,;12.23,-29.92,;13.56,-30.69,;10.89,-30.69,;9.55,-29.92,;9.55,-25.29,;9.55,-23.75,;10.88,-26.06,;12.22,-25.29,;12.22,-23.75,;10.88,-22.98,;13.55,-22.98,;13.55,-26.06,;13.55,-27.6,;14.88,-25.29,;16.22,-26.06,;16.22,-27.6,;17.55,-28.37,;18.89,-27.6,;17.55,-29.91,;17.55,-25.29,;17.55,-23.75,;18.89,-26.06,;20.22,-25.29,;20.22,-23.75,;21.55,-22.98,;21.55,-26.06,;21.55,-27.6,;22.89,-25.29,;24.22,-26.06,;24.22,-27.6,;25.55,-28.37,;26.89,-27.6,;28.23,-28.37,;28.23,-29.92,;29.56,-30.69,;26.89,-30.69,;25.55,-29.92,;25.55,-25.29,;25.55,-23.75,;26.89,-26.06,;28.22,-25.29,;28.22,-23.75,;29.55,-22.98,;29.55,-26.06,;29.55,-27.6,;30.89,-25.29,;32.22,-26.06,;32.22,-27.6,;33.56,-28.37,;33.56,-29.91,;34.89,-30.68,;34.89,-32.22,;33.56,-32.99,;36.22,-32.99,;33.56,-25.29,;33.56,-23.75,;34.89,-26.06,;36.22,-25.29,;36.22,-23.75,;37.56,-22.98,;38.89,-23.76,;40.23,-22.98,;40.23,-21.44,;41.57,-20.67,;38.89,-20.67,;37.56,-21.44,;37.56,-26.06,;37.56,-27.6,;38.89,-25.29,;40.22,-26.06,;40.22,-27.6,;41.56,-28.37,;41.56,-29.91,;42.89,-30.68,;42.89,-32.22,;41.56,-32.99,;44.22,-32.99,;41.56,-25.29,;41.56,-23.75,;42.89,-26.06,;44.22,-25.29,;44.22,-23.75,;45.56,-22.98,;45.56,-21.44,;46.89,-20.67,;46.89,-19.13,;45.56,-26.06,;45.56,-27.6,;46.89,-25.29,;48.23,-26.06,;48.23,-27.6,;49.56,-28.37,;49.56,-29.91,;48.23,-30.68,;50.89,-30.68,;49.56,-25.29,;49.56,-23.75,;50.89,-26.06,;52.23,-25.29,;52.23,-23.75,;53.56,-22.98,;53.56,-21.44,;54.89,-20.67,;53.56,-26.06,;53.56,-27.6,;54.89,-25.29,;56.23,-26.06,;56.23,-27.6,;57.56,-25.29,;57.56,-23.75,;58.89,-26.06,;60.23,-25.29,;60.23,-23.75,;61.56,-22.98,;58.89,-22.98,;61.56,-26.06,;61.56,-27.6,;62.9,-25.29,;64.23,-26.06,;64.23,-27.6,;65.56,-28.37,;65.56,-29.91,;66.9,-30.68,;66.9,-32.22,;65.56,-25.29,;65.56,-23.75,;66.9,-26.06,;68.23,-25.29,;68.23,-23.75,;69.56,-22.98,;69.56,-21.44,;70.9,-20.67,;70.9,-19.13,;69.56,-26.06,;69.56,-27.6,;70.9,-25.29,;72.23,-26.06,;72.23,-27.6,;73.57,-28.37,;74.9,-27.6,;76.24,-28.37,;76.24,-29.92,;77.58,-30.69,;74.9,-30.69,;73.57,-29.92,;73.57,-25.29,;73.57,-23.75,;74.9,-26.06,;76.23,-25.29,;76.23,-23.75,;77.57,-22.98,;77.57,-21.44,;78.9,-23.75,;77.57,-26.06,;77.57,-27.6,;78.9,-25.29,;80.23,-26.06,;80.23,-27.6,;81.57,-25.29,;81.57,-23.75,;82.9,-26.06,;84.23,-25.29,;84.23,-23.75,;85.57,-26.06,;85.57,-27.6,;86.9,-25.29,;88.24,-26.06,;88.24,-27.6,;89.57,-28.37,;86.9,-28.37,;89.57,-25.29,;89.57,-23.75,;90.9,-26.06,;92.24,-25.29,;92.24,-23.75,;93.57,-22.98,;93.57,-21.44,;94.9,-23.75,;93.57,-26.06,;94.9,-25.29,;93.57,-27.6,)|
Structure
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